1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione

C20H34N2O6Si3 — CID 21301829

IUPAC1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione
SMILESC[Si](C)(CCCN1C(=O)C=CC1=O)O[Si](C)(C)O[Si](C)(C)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C20H34N2O6Si3/c1-29(2,15-7-13-21-17(23)9-10-18(21)24)27-31(5,6)28-30(3,4)16-8-14-22-19(25)11-12-20(22)26/h9-12H,7-8,13-16H2,1-6H3
InChIKeyHUOLGESUUDBKJU-UHFFFAOYSA-N
MW482.76 g/mol
LogP2.76
Rot. Bonds12

About 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione

1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione (PubChem CID 21301829) has the molecular formula C20H34N2O6Si3 and a molecular weight of 482.76 g/mol. Its IUPAC name is 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione
PubChem CID21301829
Molecular FormulaC20H34N2O6Si3
Molecular Weight482.76 g/mol
Exact Mass482.17
IUPAC Name1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione
SMILESC[Si](C)(CCCN1C(=O)C=CC1=O)O[Si](C)(C)O[Si](C)(C)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C20H34N2O6Si3/c1-29(2,15-7-13-21-17(23)9-10-18(21)24)27-31(5,6)28-30(3,4)16-8-14-22-19(25)11-12-20(22)26/h9-12H,7-8,13-16H2,1-6H3
InChIKeyHUOLGESUUDBKJU-UHFFFAOYSA-N
XLogP2.76
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.76
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1H-Pyrrole-2,5-dione, 1-[3-(triethoxysilyl)propyl]-
CID 122424
N-((3-triethoxysilyl)propyl)maleimide
CID 22642047
1H-Pyrrole-2,5-dione, 1-[3-(trimethoxysilyl)propyl]-
CID 9878349
1-(3-Trimethylsilylpropyl)pyrrole-2,5-dione
CID 10727221
N,N-bis[3-[diethoxy(methyl)silyl]propyl]prop-2-enamide
CID 14794050
1-[3-Tris(trimethylsilyloxy)silylpropyl]pyrrole-2,5-dione
CID 15294710
1-[[[(2,5-Dioxopyrrol-1-yl)methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]pyrrole-2,5-dione
CID 18336004
1-(1-Trimethoxysilylpropyl)pyrrole-2,5-dione
CID 18442227
N-methyl-N-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]prop-2-enamide
CID 19812132
N-propyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide
CID 19812135
N-methyl-N-[3-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide
CID 19812138
N-[3-[bis[[dimethyl(trimethylsilyl)silyl]oxy]-trimethylsilyloxysilyl]propyl]-N-methylprop-2-enamide
CID 19812149

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione (CID 21301829) is 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione is C[Si](C)(CCCN1C(=O)C=CC1=O)O[Si](C)(C)O[Si](C)(C)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione?
The InChIKey is HUOLGESUUDBKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O6Si3/c1-29(2,15-7-13-21-17(23)9-10-18(21)24)27-31(5,6)28-30(3,4)16-8-14-22-19(25)11-12-20(22)26/h9-12H,7-8,13-16H2,1-6H3.
What are the key properties of 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione?
1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione has a molecular weight of 482.76 g/mol, XLogP of 2.76, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]pyrrole-2,5-dione is sourced from PubChem (CID 21301829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).